248b7383c7
Merge remote-tracking branch 'github/develop' into collected-small-changes
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# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
2022-10-24 15:50:50 -04:00
27b37ebad0
Merge pull request #3495 from akohlmey/update-email
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Update contact email address in LAMMPS sources
2022-10-24 13:49:31 -04:00
3c4b0a0c04
expand homepage checker tool to check a few more folders and apply updates
2022-10-24 10:58:39 -04:00
785b46e57b
Implemented lmp_gather_bonds, lmp_find_*_neighlist, lmp_neighlist_num_elements, and their unit tests and documentation
2022-10-24 01:00:48 -05:00
173e2382b3
Adding documentation, various updates
2022-10-22 19:03:52 -06:00
4f507b36da
Update fix_bond_react.rst
2022-10-22 00:25:00 -04:00
a8670f1ce9
Fixed potential inconsistency in lmp_error
2022-10-21 13:44:39 -05:00
fe09f1209e
Fixed spacing
2022-10-21 12:41:07 -05:00
3c936d5a2b
Fixed extract_atom doc
2022-10-21 12:16:57 -05:00
3cef658789
Added ":to:" fields to Fortran.rst; edits to :r's for consistency
2022-10-21 12:10:00 -05:00
6bb3ae83fd
Fixed typo in Manual.rst
2022-10-21 10:59:48 -05:00
337d3f0760
Made module references more uniform
2022-10-21 10:58:05 -05:00
ed7d608919
Fixed hyperlinks to LIBLAMMPS in Fortran.rst
2022-10-21 09:53:07 -05:00
12baf65d7a
correct implementation of quartic potential in pair style list
2022-10-21 02:25:40 -04:00
b6287a0fe6
Tweaks to Fortran docs
2022-10-21 00:34:24 -05:00
7ce04c8fe1
Fixed spacing on type lammps fields
2022-10-21 00:09:17 -05:00
112d616e57
unit tests for has_style, style_count, and style_name; added them to docs
2022-10-20 23:22:43 -05:00
60318a5a26
Refactor Fortran properties test into configuration; implemented several configuration functions and wrote unit tests for them; implemented missing unit tests
2022-10-20 20:24:59 -05:00
34121e5545
Implemented decode_image_flags and its unit test; updated documentation
2022-10-20 00:27:57 -05:00
b51c50294e
implemented create_atoms and encode_image_flags and unit tests for them; added IMGMASK and friends to extract_setting and unit tests for them; wrote documentation for them
2022-10-19 18:40:12 -05:00
2590f9eea4
Update pair_ylz.rst
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Corrected some typo in formulations
2022-10-19 18:52:31 +08:00
fc5379206f
add versionadded tag
2022-10-19 06:37:45 -04:00
d50bb3bffb
minor tweak
2022-10-18 15:45:56 -04:00
d3dd394cc5
Merge branch 'develop' into new-pair_style-ylz
2022-10-18 15:43:47 -04:00
53c56fdc82
integrate into manual and source distribution
2022-10-18 14:41:46 -04:00
87f316ee72
reformat, remove accelerator info, correct restrictions
2022-10-18 14:35:22 -04:00
39020379da
fix permissions, error docs, URLs, whitespace
2022-10-18 11:53:38 -04:00
78305edf71
delete atomfile style variables with clear command
2022-10-18 07:34:06 -04:00
643865221c
Merge branch 'lammps:develop' into thermo_mod_range
2022-10-17 23:05:28 -05:00
c10b5b02c0
Merge branch 'develop' into collected-small-changes
2022-10-17 22:40:01 -04:00
a746e4f2c0
update dipole pair style examples and docs
2022-10-17 19:05:17 -04:00
74d19b2b6c
update/clarify and make more consistent
2022-10-17 18:45:19 -04:00
d8ab00ea78
add CMake check that will refuse compilation of unit tests or skip tests
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This is mainly because the default compilers on RHEL/CentOS 7.x are
not sufficient to compile googletest. Also some Fortran module test
requires a working F90 module and others are more recent Fortran compiler.
2022-10-17 18:11:30 -04:00
637810515a
make compute rigid/local consistent with other "possible attributes" docs
2022-10-17 14:51:10 -05:00
677997699d
more consistency
2022-10-15 15:35:29 -04:00
9e43e9792c
Fixed a couple more mathbf->boldsymbol errors in fix brownian doc
2022-10-15 10:47:33 -05:00
2b18f6a3d3
replace tab
2022-10-14 21:27:00 -04:00
b586b72ddd
removed an extra space
2022-10-14 18:27:21 -05:00
77958b5ef1
Missed one I->i edit
2022-10-14 18:04:49 -05:00
e346151271
Updated docs for fixes bond/break, bond/create, and bond/react for math/etc.
2022-10-14 17:40:22 -05:00
3d0a7d774a
Updated docs for fix bocs to match source code and include math
2022-10-14 16:04:07 -05:00
6087217bd9
update wording and fix typo
2022-10-14 10:21:48 -04:00
9a52019b69
update remarks on neighbor list settings
2022-10-14 09:08:16 -04:00
fbc0e02cb2
cosmetic
2022-10-14 04:48:54 -04:00
24379d009c
flag lammps.has_package() python method as new
2022-10-14 04:48:08 -04:00
c2e47378b5
fix typo
2022-10-14 04:44:49 -04:00
082defa862
change neighbor list defaults to delay=0, every=1, check=yes
2022-10-14 04:38:30 -04:00
e3c78b70ed
Fixed remaining discrepancies between lists of keywords and doc of them
2022-10-13 23:00:13 -05:00
edcdedc574
made keyword lists and descriptions consistent for all fix styles
2022-10-13 19:20:08 -05:00
3f215087d2
also print atom-step/s performance metric
2022-10-13 16:32:41 -04:00
